3-[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamoyl]-4-methyl-benzenesulfonamide

Systemtic Name: 3-[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamoyl]-4-methyl-benzenesulfonamide Openeye Name: 3-[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamoyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide Traditional Name: 3-[[[(5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamoyl]-4-methyl-benzenesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=O)C2=CC3=C(S2)CCC(C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=O)C2=CC3=C(S2)CC[C@H](C3)C(C)(C)C

InChI

InChI=1S/C21H27N3O4S2/c1-12-5-7-15(30(22,27)28)11-16(12)19(25)23-24-20(26)18-10-13-9-14(21(2,3)4)6-8-17(13)29-18/h5,7,10-11,14H,6,8-9H2,1-4H3,(H,23,25)(H,24,26)(H2,22,27,28)/t14-/m1/s1