1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-14(15-3-2-4-17(13-15)22(23)24)20-9-11-21(12-10-20)27(25,26)18-7-5-16(19)6-8-18/h2-8,13-14H,9-12H2,1H3/p+1/t14-/m1/s1