[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]methanone Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S2/c1-13-2-7-18(29-13)30(27,28)22-10-8-21(9-11-22)19(24)14-3-6-16(20-15-4-5-15)17(12-14)23(25)26/h2-3,6-7,12,15,20H,4-5,8-11H2,1H3