(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)-4-piperidyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(2-nitrophenyl)-4-piperidyl]methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3S/c1-16-10-15-24(20-8-4-5-9-21(20)29-16)22(26)17-11-13-23(14-12-17)18-6-2-3-7-19(18)25(27)28/h2-9,16-17H,10-15H2,1H3