6-methyl-N-[1-[[(2S)-5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[1-[[(2S)-5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-benzyl-4-(4-morpholinosulfonylpiperazin-1-yl)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 6-methyl-N-[1-[[[(2S)-5-[4-(4-morpholinylsulfonyl)-1-piperazinyl]-1-phenylpentan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[1-[[(2S)-5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-benzyl-4-(4-morpholinosulfonylpiperazino)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide Formula: C35H47N5O5S2 MolecularWeight: 681.90818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CCCN4CCN(CC4)S(=O)(=O)N5CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@@H](CCCN4CCN(CC4)S(=O)(=O)N5CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C35H47N5O5S2/c1-27-11-12-29-26-32(46-31(29)24-27)33(41)37-35(13-5-6-14-35)34(42)36-30(25-28-8-3-2-4-9-28)10-7-15-38-16-18-39(19-17-38)47(43,44)40-20-22-45-23-21-40/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,36,42)(H,37,41)/t30-/m0/s1