1-(1-benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O4S2/c1-15-6-7-17(23(24)25)12-20(15)29(26,27)22-10-8-21(9-11-22)13-16-14-28-19-5-3-2-4-18(16)19/h2-7,12,14H,8-11,13H2,1H3