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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-piperidino-phenyl)methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c25-21(23-13-6-14-28-20-8-3-2-7-18(20)23)16-9-10-17(19(15-16)24(26)27)22-11-4-1-5-12-22/h2-3,7-10,15H,1,4-6,11-14H2