methyl 4-[(1,2,5-trimethyl-4-piperidin-1-ylcarbonyl-pyrrol-3-yl)sulfonylamino]benzoate

Systemtic Name: methyl 4-[(1,2,5-trimethyl-4-piperidin-1-ylcarbonyl-pyrrol-3-yl)sulfonylamino]benzoate Openeye Name: methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[1,2,5-trimethyl-4-[oxo(1-piperidinyl)methyl]-3-pyrrolyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoic acid methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-14-18(20(25)24-12-6-5-7-13-24)19(15(2)23(14)3)30(27,28)22-17-10-8-16(9-11-17)21(26)29-4/h8-11,22H,5-7,12-13H2,1-4H3