N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyano-benzenesulfonamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c20-15-16-6-5-7-19(14-16)27(23,24)21-17-8-10-18(11-9-17)28(25,26)22-12-3-1-2-4-13-22/h5-11,14,21H,1-4,12-13H2