N-[(2S)-2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(3-thienyl)ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(3-thienyl)ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC(C2=CSC=C2)N(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC[C@H](C2=CSC=C2)N(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26N4O4S2/c1-20(2)17(14-4-9-27-13-14)11-19-18(23)16-10-15(12-21(16)3)28(24,25)22-5-7-26-8-6-22/h4,9-10,12-13,17H,5-8,11H2,1-3H3,(H,19,23)/t17-/m1/s1