N-[(2S)-1-[4-[(2S)-3-methoxy-2-(phenylsulfonylamino)propanoyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(2S)-3-methoxy-2-(phenylsulfonylamino)propanoyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-methoxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-methoxy-1-oxopropyl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-methoxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-methoxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C29H36N4O6S2 MolecularWeight: 600.74934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(COC)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(CC1)C(=O)[C@H](COC)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C29H36N4O6S2/c1-20(2)17-23(30-27(34)26-18-21-9-7-8-12-25(21)40-26)28(35)32-13-15-33(16-14-32)29(36)24(19-39-3)31-41(37,38)22-10-5-4-6-11-22/h4-12,18,20,23-24,31H,13-17,19H2,1-3H3,(H,30,34)/t23-,24-/m0/s1