3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(phenylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(phenylmethyl)-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-benzyl-isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-benzyl-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-benzyl-isoindolin-1-one Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-27-25-13-7-6-12-24(25)26(30(27)20-21-10-4-3-5-11-21)28-22-14-16-23(17-15-22)34(32,33)29-18-8-1-2-9-19-29/h3-7,10-17,26,28H,1-2,8-9,18-20H2