(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-[(9-methylxanthen-9-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-[(9-methylxanthen-9-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S,5R)-N-[(9-methylxanthen-9-yl)methyl]-5-(p-tolylsulfonylamino)piperidine-3-carboxamide CAS Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-[(9-methyl-9-xanthenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-[(9-methylxanthen-9-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S,5R)-N-[(9-methylxanthen-9-yl)methyl]-5-(tosylamino)nipecotamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC3(C4=CC=CC=C4OC5=CC=CC=C53)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(C4=CC=CC=C4OC5=CC=CC=C53)C

InChI

InChI=1S/C28H31N3O4S/c1-19-11-13-22(14-12-19)36(33,34)31-21-15-20(16-29-17-21)27(32)30-18-28(2)23-7-3-5-9-25(23)35-26-10-6-4-8-24(26)28/h3-14,20-21,29,31H,15-18H2,1-2H3,(H,30,32)/t20-,21+/m0/s1