methyl 4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-phenyl-1-piperazinyl)sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-phenylpiperazino)sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O4S/c1-23-16(20)15-11-14(12-17-15)24(21,22)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6,11-12,17H,7-10H2,1H3