piperidin-3-ylmethyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: piperidin-3-ylmethyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: 3-piperidylmethyl 3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)propanoic acid 3-piperidinylmethyl ester IUPAC Name: piperidin-3-ylmethyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionic acid 3-piperidylmethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29N3O4S/c31-27(34-18-19-6-5-13-28-16-19)26(15-22-17-29-25-10-4-3-9-24(22)25)30-35(32,33)23-12-11-20-7-1-2-8-21(20)14-23/h1-4,7-12,14,17,19,26,28-30H,5-6,13,15-16,18H2