N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolylsulfonylamino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(tosylamino)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-17-9-11-19(12-10-17)30(26,27)22-16-21(25)23-18-7-6-8-20(15-18)31(28,29)24-13-4-2-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25)