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

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H23ClN2O3S2/c22-18-10-9-16(29(26,27)23-11-4-1-5-12-23)15-17(18)21(25)24-13-6-14-28-20-8-3-2-7-19(20)24/h2-3,7-10,15H,1,4-6,11-14H2