5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-benzyl-2-nitro-aniline CAS Name: 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline Traditional Name: benzyl-[2-nitro-5-(4-piazthiol-4-ylsulfonylpiperazino)phenyl]amine Formula: C23H22N6O4S2 MolecularWeight: 510.58858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C23H22N6O4S2/c30-29(31)21-10-9-18(15-20(21)24-16-17-5-2-1-3-6-17)27-11-13-28(14-12-27)35(32,33)22-8-4-7-19-23(22)26-34-25-19/h1-10,15,24H,11-14,16H2