N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(N-mesyl-3-methyl-anilino)methyl]benzamide Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S(=O)(=O)C

InChI

InChI=1S/C28H33N3O5S2/c1-22-8-7-9-26(20-22)31(37(2,33)34)21-23-10-12-24(13-11-23)28(32)29-25-14-16-27(17-15-25)38(35,36)30-18-5-3-4-6-19-30/h7-17,20H,3-6,18-19,21H2,1-2H3,(H,29,32)