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

Systemtic Name: N-[1-[[(2S)-5-(4-ethylsulfonylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-benzyl-4-(4-ethylsulfonylpiperazin-1-yl)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2S)-5-(4-ethylsulfonyl-1-piperazinyl)-1-phenylpentan-2-yl]amino]-oxomethyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2S)-5-(4-ethylsulfonylpiperazin-1-yl)-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-benzyl-4-(4-esylpiperazino)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide Formula: C33H44N4O4S2 MolecularWeight: 624.85686

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CCCC(CC2=CC=CC=C2)NC(=O)C3(CCCC3)NC(=O)C4=CC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CCC[C@@H](CC2=CC=CC=C2)NC(=O)C3(CCCC3)NC(=O)C4=CC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C33H44N4O4S2/c1-3-43(40,41)37-20-18-36(19-21-37)17-9-12-28(23-26-10-5-4-6-11-26)34-32(39)33(15-7-8-16-33)35-31(38)30-24-27-14-13-25(2)22-29(27)42-30/h4-6,10-11,13-14,22,24,28H,3,7-9,12,15-21,23H2,1-2H3,(H,34,39)(H,35,38)/t28-/m0/s1