2-(1-chloranylhexyl)-4-[[2-methoxy-5-(sulfinoamino)phenyl]carbonylamino]-1-methyl-piperidine

Systemtic Name: 2-(1-chloranylhexyl)-4-[[2-methoxy-5-(sulfinoamino)phenyl]carbonylamino]-1-methyl-piperidine Openeye Name: 2-(1-chlorohexyl)-4-[[2-methoxy-5-(sulfinoamino)benzoyl]amino]-1-methyl-piperidine CAS Name: 2-(1-chlorohexyl)-4-[[[2-methoxy-5-(sulfinoamino)phenyl]-oxomethyl]amino]-1-methylpiperidine IUPAC Name: 2-(1-chlorohexyl)-4-[[2-methoxy-5-(sulfinoamino)benzoyl]amino]-1-methylpiperidine Traditional Name: 2-(1-chlorohexyl)-4-[[2-methoxy-5-(sulfinoamino)benzoyl]amino]-1-methyl-piperidine Formula: C20H32ClN3O4S MolecularWeight: 446.00378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CC(CCN1C)NC(=O)C2=C(C=CC(=C2)NS(=O)O)OC)Cl

Isomeric SMILES

CCCCCC(C1CC(CCN1C)NC(=O)C2=C(C=CC(=C2)NS(=O)O)OC)Cl

InChI

InChI=1S/C20H32ClN3O4S/c1-4-5-6-7-17(21)18-13-14(10-11-24(18)2)22-20(25)16-12-15(23-29(26)27)8-9-19(16)28-3/h8-9,12,14,17-18,23H,4-7,10-11,13H2,1-3H3,(H,22,25)(H,26,27)