4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-dipropyl-benzenesulfonamide Openeye Name: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-dipropyl-benzenesulfonamide CAS Name: 4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N,N-dipropylbenzenesulfonamide IUPAC Name: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-dipropylbenzenesulfonamide Traditional Name: 4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-dipropyl-benzenesulfonamide Formula: C24H29N5O5S2 MolecularWeight: 531.64756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O5S2/c1-3-11-28(12-4-2)36(33,34)20-8-5-18(6-9-20)23(30)26-13-15-27(16-14-26)24-25-21-10-7-19(29(31)32)17-22(21)35-24/h5-10,17H,3-4,11-16H2,1-2H3