5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazino]-2-nitro-phenyl]amine Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4S2/c1-18-27-22-9-8-21(16-25(22)35-18)36(33,34)29-13-11-28(12-14-29)20-7-10-24(30(31)32)23(15-20)26-17-19-5-3-2-4-6-19/h2-10,15-16,26H,11-14,17H2,1H3