N,N-diethyl-1-methyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-pyrrole-3-sulfonamide

Systemtic Name: N,N-diethyl-1-methyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-pyrrole-3-sulfonamide Openeye Name: N,N-diethyl-1-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide CAS Name: N,N-diethyl-1-methyl-5-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-3-pyrrolesulfonamide IUPAC Name: N,N-diethyl-1-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide Traditional Name: N,N-diethyl-1-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O4S/c1-4-26(5-2)31(28,29)20-17-21(23(3)18-20)22(27)25-13-11-24(12-14-25)15-16-30-19-9-7-6-8-10-19/h6-10,17-18H,4-5,11-16H2,1-3H3