3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-pyrrolidinosulfonylphenyl)methanone Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C20H22N2O3S2/c23-20(22-13-6-14-26-19-10-2-1-9-18(19)22)16-7-5-8-17(15-16)27(24,25)21-11-3-4-12-21/h1-2,5,7-10,15H,3-4,6,11-14H2