(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S,5R)-5-(p-tolylsulfonylamino)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide CAS Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(9H-xanthen-9-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S,5R)-5-(tosylamino)-N-(9H-xanthen-9-ylmethyl)nipecotamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H29N3O4S/c1-18-10-12-21(13-11-18)35(32,33)30-20-14-19(15-28-16-20)27(31)29-17-24-22-6-2-4-8-25(22)34-26-9-5-3-7-23(24)26/h2-13,19-20,24,28,30H,14-17H2,1H3,(H,29,31)/t19-,20+/m0/s1