N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C25H35N3O5S2 MolecularWeight: 521.6925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O5S2/c1-5-24(28(34(4,30)31)22-13-10-19(2)20(3)18-22)25(29)26-21-11-14-23(15-12-21)35(32,33)27-16-8-6-7-9-17-27/h10-15,18,24H,5-9,16-17H2,1-4H3,(H,26,29)