N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-18-4-6-19(7-5-18)22(17-25-12-14-32-15-13-25)24-21-9-8-20(16-23(21)27(28)29)33(30,31)26-10-2-3-11-26/h4-9,16,22,24H,2-3,10-15,17H2,1H3/p+1/t22-/m0/s1