N-(3-azanyl-3-oxidanylidene-propyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-1-(3,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)isonipecotamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCC(=O)N)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCC(=O)N)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H28FN3O4S/c1-16-3-8-21(15-17(16)2)32(30,31)26-12-9-18(10-13-26)23(29)27(14-11-22(25)28)20-6-4-19(24)5-7-20/h3-8,15,18H,9-14H2,1-2H3,(H2,25,28)