ethyl 2-[4-(3-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-methoxyphenyl)sulfonyl-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-methoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[4-(3-methoxyphenyl)sulfonyl-3-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(3-methoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)piperazino]acetic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC(=C3)OC

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC(=C3)OC

InChI

InChI=1S/C20H29N3O6S/c1-3-29-19(24)15-21-11-12-23(18(14-21)20(25)22-9-4-5-10-22)30(26,27)17-8-6-7-16(13-17)28-2/h6-8,13,18H,3-5,9-12,14-15H2,1-2H3