7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-benzylsulfonylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-benzylsulfonylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-benzylsulfonylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C21H23N3O4S2/c25-20-8-13-29-19-7-6-17(14-18(19)22-20)21(26)23-9-11-24(12-10-23)30(27,28)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,25)