3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N,N-bis(phenylmethyl)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N,N-bis(phenylmethyl)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N,N-dibenzyl-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N,N-bis(phenylmethyl)-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N,N-dibenzyl-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N,N-dibenzyl-1,4-diketo-naphthalene-2-sulfonamide Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4S/c33-28-25-17-9-10-18-26(25)29(34)30(27(28)31-19-11-1-2-12-20-31)37(35,36)32(21-23-13-5-3-6-14-23)22-24-15-7-4-8-16-24/h3-10,13-18H,1-2,11-12,19-22H2