5-(dimethylamino)-N-[5-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-pentan-2-yl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[5-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-pentan-2-yl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylpiperidine-1-carbonyl)butyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[5-[(1-methyl-2-imidazolyl)thio]-1-(4-methyl-1-piperidinyl)-1-oxopentan-2-yl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[5-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[4-[(1-methylimidazol-2-yl)thio]-1-(4-methylpiperidine-1-carbonyl)butyl]naphthalene-1-sulfonamide Formula: C27H37N5O3S2 MolecularWeight: 543.74438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCCSC2=NC=CN2C)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCCSC2=NC=CN2C)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C27H37N5O3S2/c1-20-13-16-32(17-14-20)26(33)23(10-7-19-36-27-28-15-18-31(27)4)29-37(34,35)25-12-6-8-21-22(25)9-5-11-24(21)30(2)3/h5-6,8-9,11-12,15,18,20,23,29H,7,10,13-14,16-17,19H2,1-4H3