4-[[2-methoxy-5-(sulfinoamino)phenyl]carbonyl-methyl-amino]-1-(phenylmethyl)piperidine

Systemtic Name: 4-[[2-methoxy-5-(sulfinoamino)phenyl]carbonyl-methyl-amino]-1-(phenylmethyl)piperidine Openeye Name: 1-benzyl-4-[[2-methoxy-5-(sulfinoamino)benzoyl]-methyl-amino]piperidine CAS Name: 4-[[[2-methoxy-5-(sulfinoamino)phenyl]-oxomethyl]-methylamino]-1-(phenylmethyl)piperidine IUPAC Name: 1-benzyl-4-[[2-methoxy-5-(sulfinoamino)benzoyl]-methylamino]piperidine Traditional Name: 1-benzyl-4-[[2-methoxy-5-(sulfinoamino)benzoyl]-methyl-amino]piperidine Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)NS(=O)O)OC

Isomeric SMILES

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)NS(=O)O)OC

InChI

InChI=1S/C21H27N3O4S/c1-23(18-10-12-24(13-11-18)15-16-6-4-3-5-7-16)21(25)19-14-17(22-29(26)27)8-9-20(19)28-2/h3-9,14,18,22H,10-13,15H2,1-2H3,(H,26,27)