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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [4-(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=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

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

InChI

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