N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-(phenylsulfonylamino)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-(phenylsulfonylamino)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(benzenesulfonamido)-4-methyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(benzenesulfonamido)-4-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(benzenesulfonamido)-4-methylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(benzenesulfonamido)-4-methyl-benzamide Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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