[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O3S/c28-23(17-7-8-19(20(15-17)27(29)30)25-11-3-4-12-25)26-13-9-16(10-14-26)22-24-18-5-1-2-6-21(18)31-22/h1-2,5-8,15-16H,3-4,9-14H2