methyl-[(3-methylthiophen-2-yl)methyl]-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(3-methylthiophen-2-yl)methyl]-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(3-methyl-2-thienyl)methyl]-[2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(3-methyl-2-thiophenyl)methyl]-[2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(3-methylthiophen-2-yl)methyl]-[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C23H33N4O4S2+ MolecularWeight: 493.66252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H32N4O4S2/c1-18-7-14-32-22(18)16-25(2)17-23(28)24-20-15-19(5-6-21(20)26-8-3-4-9-26)33(29,30)27-10-12-31-13-11-27/h5-7,14-15H,3-4,8-13,16-17H2,1-2H3,(H,24,28)/p+1