3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(cyanomethyl)phenyl]propionamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C23H27N3O3S/c24-16-15-20-5-10-21(11-6-20)25-23(27)14-9-19-7-12-22(13-8-19)30(28,29)26-17-3-1-2-4-18-26/h5-8,10-13H,1-4,9,14-15,17-18H2,(H,25,27)