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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C)C

InChI

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