[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(2-ethylpiperidino)sulfonylphenyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H29N5O5S2 MolecularWeight: 543.65826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O5S2/c1-2-19-5-3-4-12-29(19)37(34,35)21-9-6-18(7-10-21)24(31)27-13-15-28(16-14-27)25-26-22-11-8-20(30(32)33)17-23(22)36-25/h6-11,17,19H,2-5,12-16H2,1H3