1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(3-thienylmethyl)piperazine CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(3-thiophenylmethyl)piperazine IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(3-thenyl)piperazine Formula: C16H18ClN3O4S2 MolecularWeight: 415.91482

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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=CSC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CSC=C3)Cl

InChI

InChI=1S/C16H18ClN3O4S2/c1-12-15(17)8-14(9-16(12)20(21)22)26(23,24)19-5-3-18(4-6-19)10-13-2-7-25-11-13/h2,7-9,11H,3-6,10H2,1H3