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

Systemtic Name: [4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]piperidin-1-yl] naphthalene-2-sulfinate Openeye Name: [4-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-1-piperidyl] naphthalene-2-sulfinate CAS Name: 2-naphthalenesulfinic acid [4-[[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1-piperidinyl] ester IUPAC Name: [4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidin-1-yl] naphthalene-2-sulfinate Traditional Name: naphthalene-2-sulfinic acid [4-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]piperidino] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)OS(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)OS(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O4S/c26-24(29)23(16-18-6-2-1-3-7-18)27-25(30)20-12-14-28(15-13-20)32-33(31)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,26,29)(H,27,30)