N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-(dipropylsulfamoyl)benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-(dipropylsulfamoyl)benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-(dipropylsulfamoyl)benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]-4-(dipropylsulfamoyl)benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]-4-(dipropylsulfamoyl)benzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-(dipropylsulfamoyl)benzamide Formula: C26H26N4O5S2 MolecularWeight: 538.63844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5S2/c1-3-15-29(16-4-2)37(34,35)20-12-9-18(10-13-20)25(31)27-21-14-11-19(17-23(21)30(32)33)26-28-22-7-5-6-8-24(22)36-26/h5-14,17H,3-4,15-16H2,1-2H3,(H,27,31)