6-chloranyl-N-[1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-N-(pyridin-4-ylmethyl)naphthalene-2-sulfonamide methanoate

Systemtic Name: 6-chloranyl-N-[1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-N-(pyridin-4-ylmethyl)naphthalene-2-sulfonamide methanoate Openeye Name: 6-chloro-N-[1-(1-methyl-2-morpholino-2-oxo-ethyl)-2-oxo-pyrrolidin-3-yl]-N-(4-pyridylmethyl)naphthalene-2-sulfonamide formate CAS Name: 6-chloro-N-[1-[1-(4-morpholinyl)-1-oxopropan-2-yl]-2-oxo-3-pyrrolidinyl]-N-(pyridin-4-ylmethyl)-2-naphthalenesulfonamide formate IUPAC Name: 6-chloro-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-N-(pyridin-4-ylmethyl)naphthalene-2-sulfonamide formate Traditional Name: 6-chloro-N-[2-keto-1-(2-keto-1-methyl-2-morpholino-ethyl)pyrrolidin-3-yl]-N-(4-pyridylmethyl)naphthalene-2-sulfonamide formate Formula: C28H30ClN4O7S- MolecularWeight: 602.0784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)N2CCC(C2=O)N(CC3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.C(=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)N2CCC(C2=O)N(CC3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.C(=O)[O-]

InChI

InChI=1S/C27H29ClN4O5S.CH2O2/c1-19(26(33)30-12-14-37-15-13-30)31-11-8-25(27(31)34)32(18-20-6-9-29-10-7-20)38(35,36)24-5-3-21-16-23(28)4-2-22(21)17-24;2-1-3/h2-7,9-10,16-17,19,25H,8,11-15,18H2,1H3;1H,(H,2,3)/p-1