5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline

Systemtic Name: 5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline Openeye Name: 5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline CAS Name: 5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline IUPAC Name: 5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline Traditional Name: [5-[4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazino]-2-nitro-phenyl]-(1-phenylethyl)amine Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NC(C)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O4S2/c1-18(20-6-4-3-5-7-20)27-23-16-21(8-10-25(23)31(32)33)29-12-14-30(15-13-29)37(34,35)22-9-11-26-24(17-22)28-19(2)36-26/h3-11,16-18,27H,12-15H2,1-2H3