[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N2O5S/c25-21(24(19-10-11-19)18-6-2-1-3-7-18)16-29-22(26)17-8-12-20(13-9-17)30(27,28)23-14-4-5-15-23/h6,8-9,12-13,19H,1-5,7,10-11,14-16H2