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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(N-mesylanilino)methyl]benzamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c1-36(32,33)30(25-9-5-4-6-10-25)21-22-11-13-23(14-12-22)27(31)28-24-15-17-26(18-16-24)37(34,35)29-19-7-2-3-8-20-29/h4-6,9-18H,2-3,7-8,19-21H2,1H3,(H,28,31)