N,N-diethyl-1-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrrole-3-sulfonamide

Systemtic Name: N,N-diethyl-1-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrrole-3-sulfonamide Openeye Name: N,N-diethyl-1-methyl-5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyrrole-3-sulfonamide CAS Name: N,N-diethyl-1-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-pyrrolesulfonamide IUPAC Name: N,N-diethyl-1-methyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrole-3-sulfonamide Traditional Name: N,N-diethyl-1-methyl-5-(4-tosyl-1,4-diazepane-1-carbonyl)pyrrole-3-sulfonamide Formula: C22H32N4O5S2 MolecularWeight: 496.64328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H32N4O5S2/c1-5-25(6-2)33(30,31)20-16-21(23(4)17-20)22(27)24-12-7-13-26(15-14-24)32(28,29)19-10-8-18(3)9-11-19/h8-11,16-17H,5-7,12-15H2,1-4H3