2-methyl-5-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-pyrrolidino-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCCC3

InChI

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