N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolylsulfonylamino)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(tosylamino)benzamide Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O5S2/c1-20-10-14-22(15-11-20)35(31,32)28-25-9-5-4-8-24(25)26(30)27-21-12-16-23(17-13-21)36(33,34)29-18-6-2-3-7-19-29/h4-5,8-17,28H,2-3,6-7,18-19H2,1H3,(H,27,30)