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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c25-22(24-15-8-16-28-21-12-4-3-11-20(21)24)18-9-7-10-19(17-18)29(26,27)23-13-5-1-2-6-14-23/h3-4,7,9-12,17H,1-2,5-6,8,13-16H2