N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H32N4O4S/c1-18-7-9-22(10-8-18)35(33,34)30-15-12-20(13-16-30)26(32)29-19(2)25(31)27-14-11-21-17-28-24-6-4-3-5-23(21)24/h3-10,17,19-20,28H,11-16H2,1-2H3,(H,27,31)(H,29,32)/t19-/m0/s1