4-(azepan-1-ylcarbonyl)-N-[4-(diethylamino)-2-methyl-phenyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[4-(diethylamino)-2-methyl-phenyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-[4-(diethylamino)-2-methyl-phenyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[4-(diethylamino)-2-methylphenyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[4-(diethylamino)-2-methylphenyl]-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-[4-(diethylamino)-2-methyl-phenyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C25H38N4O3S MolecularWeight: 474.65922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

InChI

InChI=1S/C25H38N4O3S/c1-7-28(8-2)21-13-14-22(18(3)17-21)26-33(31,32)24-20(5)27(6)19(4)23(24)25(30)29-15-11-9-10-12-16-29/h13-14,17,26H,7-12,15-16H2,1-6H3