1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]isonipecotamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N3O6S/c1-17-5-3-6-21(15-17)32-14-4-11-24-23(27)19-9-12-25(13-10-19)33(30,31)22-16-20(26(28)29)8-7-18(22)2/h3,5-8,15-16,19H,4,9-14H2,1-2H3,(H,24,27)