ethyl 4-[4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[2-methyl-4-(1-pyrrolidinyl)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-methyl-4-pyrrolidino-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C26H33N3O5S/c1-3-34-26(31)21-6-9-23(10-7-21)35(32,33)29-16-12-20(13-17-29)25(30)27-24-11-8-22(18-19(24)2)28-14-4-5-15-28/h6-11,18,20H,3-5,12-17H2,1-2H3,(H,27,30)