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

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-(phenylmethyl)-N-propan-2-yl-naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-benzyl-N-isopropyl-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N-(phenylmethyl)-N-propan-2-yl-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-benzyl-1,4-dioxo-N-propan-2-ylnaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-benzyl-N-isopropyl-1,4-diketo-naphthalene-2-sulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C26H30N2O4S/c1-19(2)28(18-20-12-6-5-7-13-20)33(31,32)26-23(27-16-10-3-4-11-17-27)24(29)21-14-8-9-15-22(21)25(26)30/h5-9,12-15,19H,3-4,10-11,16-18H2,1-2H3