3-nitro-4-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-15(2)22-29(27,28)18-8-9-19(20(12-18)24(25)26)21-17-10-11-23(14-17)13-16-6-4-3-5-7-16/h3-9,12,15,17,21-22H,10-11,13-14H2,1-2H3/p+1/t17-/m0/s1