[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CN3

InChI

InChI=1S/C19H23N3O5S/c23-18(14-27-19(24)17-6-5-11-20-17)21-15-7-9-16(10-8-15)28(25,26)22-12-3-1-2-4-13-22/h5-11,20H,1-4,12-14H2,(H,21,23)