N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-isobutyryl-isonipecotamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O4S/c1-17(2)22(27)24-15-11-18(12-16-24)21(26)23-19-7-9-20(10-8-19)30(28,29)25-13-5-3-4-6-14-25/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,26)