1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(1-pyridin-3-ylethyl)piperazine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(1-pyridin-3-ylethyl)piperazine Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[1-(3-pyridyl)ethyl]piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[1-(3-pyridinyl)ethyl]piperazine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(1-pyridin-3-ylethyl)piperazine Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[1-(3-pyridyl)ethyl]piperazine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C3=CN=CC=C3

InChI

InChI=1S/C18H22N4O4S/c1-14-5-6-17(22(23)24)12-18(14)27(25,26)21-10-8-20(9-11-21)15(2)16-4-3-7-19-13-16/h3-7,12-13,15H,8-11H2,1-2H3