1-(azepan-1-yl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)indolin-1-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)indolin-1-yl]butane-1,4-dione Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H33N3O4S/c31-26(28-15-5-1-2-6-16-28)11-12-27(32)30-18-14-22-19-24(9-10-25(22)30)35(33,34)29-17-13-21-7-3-4-8-23(21)20-29/h3-4,7-10,19H,1-2,5-6,11-18,20H2