N,4-dimethyl-3-nitro-N-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-3-nitro-N-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide Openeye Name: N-[1-[(4-isopropylphenyl)methyl]pyrrolidin-3-yl]-N,4-dimethyl-3-nitro-benzenesulfonamide CAS Name: N,4-dimethyl-3-nitro-N-[1-[(4-propan-2-ylphenyl)methyl]-3-pyrrolidinyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-3-nitro-N-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide Traditional Name: N-[1-(4-isopropylbenzyl)pyrrolidin-3-yl]-N,4-dimethyl-3-nitro-benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2CCN(C2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2CCN(C2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4S/c1-16(2)19-8-6-18(7-9-19)14-24-12-11-20(15-24)23(4)30(28,29)21-10-5-17(3)22(13-21)25(26)27/h5-10,13,16,20H,11-12,14-15H2,1-4H3