2-methyl-7-pyrrolidin-1-ylsulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-methyl-7-pyrrolidin-1-ylsulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-methyl-7-pyrrolidin-1-ylsulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-(1-pyrrolidinylsulfonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-7-pyrrolidin-1-ylsulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-pyrrolidinosulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C14H18N2O3S2/c1-10-8-14(17)15-12-9-11(4-5-13(12)20-10)21(18,19)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,17)