3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

InChI

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