N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-isopropylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-p-cumenylsulfonyl-isonipecotamide Formula: C27H37N3O5S2 MolecularWeight: 547.72978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O5S2/c1-21(2)22-10-12-25(13-11-22)36(32,33)30-18-14-23(15-19-30)27(31)28-24-8-7-9-26(20-24)37(34,35)29-16-5-3-4-6-17-29/h7-13,20-21,23H,3-6,14-19H2,1-2H3,(H,28,31)