N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidine-4-carboxamide Openeye Name: 4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carboxamide Traditional Name: 4-[(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C25H32N4O6S3 MolecularWeight: 580.73978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

InChI

InChI=1S/C25H32N4O6S3/c1-17-7-9-18(10-8-17)38(34,35)28-16-15-27-24(31)25(11-13-26-14-12-25)29-22(30)21-19-5-3-4-6-20(19)23(36-21)37(2,32)33/h4,6-10,26,28H,3,5,11-16H2,1-2H3,(H,27,31)(H,29,30)