N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(p-tolylsulfonylamino)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(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(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O5S2/c1-20-9-13-24(14-10-20)35(31,32)28-23-8-6-7-21(19-23)26(30)27-22-11-15-25(16-12-22)36(33,34)29-17-4-2-3-5-18-29/h6-16,19,28H,2-5,17-18H2,1H3,(H,27,30)