[4-[(3-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]piperidin-1-yl] naphthalene-2-sulfinate

Systemtic Name: [4-[(3-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]piperidin-1-yl] naphthalene-2-sulfinate Openeye Name: [4-[(1-benzyl-2-oxo-propyl)carbamoyl]-1-piperidyl] naphthalene-2-sulfinate CAS Name: 2-naphthalenesulfinic acid [4-[oxo-[(3-oxo-1-phenylbutan-2-yl)amino]methyl]-1-piperidinyl] ester IUPAC Name: [4-[(3-oxo-1-phenylbutan-2-yl)carbamoyl]piperidin-1-yl] naphthalene-2-sulfinate Traditional Name: naphthalene-2-sulfinic acid [4-[(1-benzyl-2-keto-propyl)carbamoyl]piperidino] ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)OS(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)OS(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O4S/c1-19(29)25(17-20-7-3-2-4-8-20)27-26(30)22-13-15-28(16-14-22)32-33(31)24-12-11-21-9-5-6-10-23(21)18-24/h2-12,18,22,25H,13-17H2,1H3,(H,27,30)