(3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[4-[(cyclopropylamino)-oxomethyl]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H25N3O4S/c1-2-30(28,29)25-14-17-6-4-3-5-16(17)13-20(25)22(27)24-18-9-7-15(8-10-18)21(26)23-19-11-12-19/h3-10,19-20H,2,11-14H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1