2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]ethyl 3-pyrrolidin-1-ylsulfonylbenzoate hydrochloride

Systemtic Name: 2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]ethyl 3-pyrrolidin-1-ylsulfonylbenzoate hydrochloride Openeye Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethyl 3-pyrrolidin-1-ylsulfonylbenzoate hydrochloride CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]ethyl ester hydrochloride IUPAC Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethyl 3-pyrrolidin-1-ylsulfonylbenzoate hydrochloride Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazino]ethyl ester hydrochloride Formula: C28H37ClN4O7S2 MolecularWeight: 641.19898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCOC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5.Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCOC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5.Cl

InChI

InChI=1S/C28H36N4O7S2.ClH/c33-27(23-7-5-9-25(21-23)40(35,36)31-11-1-2-12-31)30-17-15-29(16-18-30)19-20-39-28(34)24-8-6-10-26(22-24)41(37,38)32-13-3-4-14-32;/h5-10,21-22H,1-4,11-20H2;1H