[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Openeye Name: (3-isopropylsulfonylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Traditional Name: (3-isopropylsulfonylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-14(2)32(29,30)17-5-3-4-15(12-17)20(26)23-8-10-24(11-9-23)21-22-18-7-6-16(25(27)28)13-19(18)31-21/h3-7,12-14H,8-11H2,1-2H3