4-[(E)-4-azanylbut-2-enyl]sulfanyl-N-(hydroxymethyl)-3-methyl-N-(2-oxidanylideneethyl)-1-pyrrolidin-1-yl-naphthalene-2-sulfonamide

Systemtic Name: 4-[(E)-4-azanylbut-2-enyl]sulfanyl-N-(hydroxymethyl)-3-methyl-N-(2-oxidanylideneethyl)-1-pyrrolidin-1-yl-naphthalene-2-sulfonamide Openeye Name: 4-[(E)-4-aminobut-2-enyl]sulfanyl-N-(hydroxymethyl)-3-methyl-N-(2-oxoethyl)-1-pyrrolidin-1-yl-naphthalene-2-sulfonamide CAS Name: 4-[[(E)-4-aminobut-2-enyl]thio]-N-(hydroxymethyl)-3-methyl-N-(2-oxoethyl)-1-(1-pyrrolidinyl)-2-naphthalenesulfonamide IUPAC Name: 4-[(E)-4-aminobut-2-enyl]sulfanyl-N-(hydroxymethyl)-3-methyl-N-(2-oxoethyl)-1-pyrrolidin-1-ylnaphthalene-2-sulfonamide Traditional Name: 4-[[(E)-4-aminobut-2-enyl]thio]-N-(2-ketoethyl)-3-methyl-N-methylol-1-pyrrolidino-naphthalene-2-sulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1S(=O)(=O)N(CC=O)CO)N3CCCC3)SCC=CCN

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1S(=O)(=O)N(CC=O)CO)N3CCCC3)SC/C=C/CN

InChI

InChI=1S/C22H29N3O4S2/c1-17-21(30-15-7-4-10-23)19-9-3-2-8-18(19)20(24-11-5-6-12-24)22(17)31(28,29)25(16-27)13-14-26/h2-4,7-9,14,27H,5-6,10-13,15-16,23H2,1H3/b7-4+