ethyl 6-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]nicotinic acid ethyl ester Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C18H23N5O5S/c1-3-28-18(25)13-4-5-16(20-11-13)22-6-8-23(9-7-22)29(26,27)14-10-15(17(19)24)21(2)12-14/h4-5,10-12H,3,6-9H2,1-2H3,(H2,19,24)