methyl 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C18H19N3O7S2 MolecularWeight: 453.48936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19N3O7S2/c1-12-3-4-16(29-12)30(26,27)20-7-5-19(6-8-20)17(22)13-9-14(18(23)28-2)11-15(10-13)21(24)25/h3-4,9-11H,5-8H2,1-2H3