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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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