3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]imino-1-(phenylmethyl)indol-2-one

Systemtic Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]imino-1-(phenylmethyl)indol-2-one Openeye Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]imino-1-benzyl-indolin-2-one CAS Name: 3-[3-(1-azepanylsulfonyl)-4-methylphenyl]imino-1-(phenylmethyl)-2-indolone IUPAC Name: 3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]imino-1-benzylindol-2-one Traditional Name: 3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]imino-1-benzyl-oxindole Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H29N3O3S/c1-21-15-16-23(19-26(21)35(33,34)30-17-9-2-3-10-18-30)29-27-24-13-7-8-14-25(24)31(28(27)32)20-22-11-5-4-6-12-22/h4-8,11-16,19H,2-3,9-10,17-18,20H2,1H3