N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-furoyl)nipecotamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O5S/c1-18-10-11-20(16-22(18)33(30,31)27-13-4-2-3-5-14-27)25-23(28)19-8-6-12-26(17-19)24(29)21-9-7-15-32-21/h7,9-11,15-16,19H,2-6,8,12-14,17H2,1H3,(H,25,28)