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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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