4-(4-methylpiperazin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-[2-(2-methylthiazol-4-yl)ethyl]amine Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S2/c1-13-19-14(12-27-13)5-6-18-16-4-3-15(11-17(16)22(23)24)28(25,26)21-9-7-20(2)8-10-21/h3-4,11-12,18H,5-10H2,1-2H3