4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=CC=C2OC)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-16(2)24-32(29,30)17-10-11-19(20(14-17)26(27)28)23-15-21(25-12-6-7-13-25)18-8-4-5-9-22(18)31-3/h4-5,8-11,14,16,21,23-24H,6-7,12-13,15H2,1-3H3/p+1/t21-/m0/s1