6-chloranyl-N-[1-[1-[3-(1H-imidazol-5-ylmethylamino)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide

Systemtic Name: 6-chloranyl-N-[1-[1-[3-(1H-imidazol-5-ylmethylamino)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide Openeye Name: 6-chloro-N-[1-[2-[3-(1H-imidazol-5-ylmethylamino)-1-piperidyl]-1-methyl-2-oxo-ethyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide CAS Name: 6-chloro-N-[1-[1-[3-(1H-imidazol-5-ylmethylamino)-1-piperidinyl]-1-oxopropan-2-yl]-2-oxo-3-pyrrolidinyl]-2-naphthalenesulfonamide IUPAC Name: 6-chloro-N-[1-[1-[3-(1H-imidazol-5-ylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide Traditional Name: 6-chloro-N-[1-[2-[3-(1H-imidazol-5-ylmethylamino)piperidino]-2-keto-1-methyl-ethyl]-2-keto-pyrrolidin-3-yl]naphthalene-2-sulfonamide Formula: C26H31ClN6O4S MolecularWeight: 559.08014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)NCC2=CN=CN2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C(=O)N1CCCC(C1)NCC2=CN=CN2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C26H31ClN6O4S/c1-17(25(34)32-9-2-3-21(15-32)29-14-22-13-28-16-30-22)33-10-8-24(26(33)35)31-38(36,37)23-7-5-18-11-20(27)6-4-19(18)12-23/h4-7,11-13,16-17,21,24,29,31H,2-3,8-10,14-15H2,1H3,(H,28,30)