ethyl 3,5-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-(4-tosyl-1,4-diazepan-1-yl)acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O5S/c1-5-31-23(28)22-17(3)21(18(4)24-22)20(27)15-25-11-6-12-26(14-13-25)32(29,30)19-9-7-16(2)8-10-19/h7-10,24H,5-6,11-15H2,1-4H3