1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S2/c1-28-19-7-6-16(12-18(19)23(24)25)30(26,27)22-10-8-21(9-11-22)13-15-14-29-20-5-3-2-4-17(15)20/h2-7,12,14H,8-11,13H2,1H3