6-(1,3-benzodioxol-5-yl)-11-methyl-8-piperidin-1-ylcarbonyl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-11-methyl-8-piperidin-1-ylcarbonyl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-11-methyl-8-(piperidine-1-carbonyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one CAS Name: 6-(1,3-benzodioxol-5-yl)-11-methyl-8-[oxo(1-piperidinyl)methyl]-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one IUPAC Name: 6-(1,3-benzodioxol-5-yl)-11-methyl-8-(piperidine-1-carbonyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-11-methyl-8-(piperidine-1-carbonyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=C(C=C4)OCO5)C(=O)N6CCCCC6

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=C(C=C4)OCO5)C(=O)N6CCCCC6

InChI

InChI=1S/C27H26N2O4S/c1-17-13-21(30)26(27(31)28-11-5-2-6-12-28)20-15-25(18-9-10-22-23(14-18)33-16-32-22)34-24-8-4-3-7-19(24)29(17)20/h3-4,7-10,13-14,25H,2,5-6,11-12,15-16H2,1H3