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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-28-18-8-7-15(13-17(18)24(26)27)21(25)23-11-9-14(10-12-23)20-22-16-5-3-4-6-19(16)29-20/h3-8,13-14H,2,9-12H2,1H3