ethyl 4-[2,5-dimethyl-3-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[[4-(1-piperidylsulfonyl)phenyl]iminomethyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[[4-(1-piperidinylsulfonyl)phenyl]iminomethyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(4-piperidinosulfonylphenyl)iminomethyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C27H31N3O4S/c1-4-34-27(31)22-8-12-25(13-9-22)30-20(2)18-23(21(30)3)19-28-24-10-14-26(15-11-24)35(32,33)29-16-6-5-7-17-29/h8-15,18-19H,4-7,16-17H2,1-3H3