3-nitro-N-propan-2-yl-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[(2R)-2-(2-thienyl)pyrrolidino]benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H]2C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-12(2)18-26(23,24)13-7-8-14(16(11-13)20(21)22)19-9-3-5-15(19)17-6-4-10-25-17/h4,6-8,10-12,15,18H,3,5,9H2,1-2H3/t15-/m1/s1