1-(1-methylindol-5-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(1-methylindol-5-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(1-methylindol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(1-methyl-5-indolyl)sulfonyl]-N-[1-(phenylmethyl)-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-(1-methylindol-5-yl)sulfonyl-isonipecotamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3S/c1-29-14-9-23-19-25(7-8-26(23)29)35(33,34)31-17-10-22(11-18-31)27(32)28-24-12-15-30(16-13-24)20-21-5-3-2-4-6-21/h2-9,14,19,22,24H,10-13,15-18,20H2,1H3,(H,28,32)