N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c1-23(2,3)25-33(30,31)19-11-12-20(21(15-19)27(28)29)24-16-22(26-13-5-6-14-26)17-7-9-18(32-4)10-8-17/h7-12,15,22,24-25H,5-6,13-14,16H2,1-4H3