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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H25ClN2O3S2 MolecularWeight: 465.0285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H25ClN2O3S2/c23-18-11-10-17(16-21(18)30(27,28)24-12-5-1-2-6-13-24)22(26)25-14-7-15-29-20-9-4-3-8-19(20)25/h3-4,8-11,16H,1-2,5-7,12-15H2