[5-(1H-imidazol-2-ylsulfonyl)-2-nitro-4-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [5-(1H-imidazol-2-ylsulfonyl)-2-nitro-4-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone Openeye Name: [4-(benzylamino)-5-(1H-imidazol-2-ylsulfonyl)-2-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [5-(1H-imidazol-2-ylsulfonyl)-2-nitro-4-[(phenylmethyl)amino]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-(benzylamino)-5-(1H-imidazol-2-ylsulfonyl)-2-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [4-(benzylamino)-5-(1H-imidazol-2-ylsulfonyl)-2-nitro-phenyl]-piperazino-methanone Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=NC=CN4

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=NC=CN4

InChI

InChI=1S/C21H22N6O5S/c28-20(26-10-8-22-9-11-26)16-12-19(33(31,32)21-23-6-7-24-21)17(13-18(16)27(29)30)25-14-15-4-2-1-3-5-15/h1-7,12-13,22,25H,8-11,14H2,(H,23,24)