3-methyl-N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]isoquinoline-7-sulfonamide

Systemtic Name: 3-methyl-N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]isoquinoline-7-sulfonamide Openeye Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-oxo-pyrrolidin-3-yl]-3-methyl-isoquinoline-7-sulfonamide CAS Name: 3-methyl-N-[(3S)-2-oxo-1-(1-propan-2-yl-4-piperidinyl)-3-pyrrolidinyl]-7-isoquinolinesulfonamide IUPAC Name: 3-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]isoquinoline-7-sulfonamide Traditional Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-keto-pyrrolidin-3-yl]-3-methyl-isoquinoline-7-sulfonamide Formula: C22H30N4O3S MolecularWeight: 430.5636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=C(C=CC2=C1)S(=O)(=O)NC3CCN(C3=O)C4CCN(CC4)C(C)C

Isomeric SMILES

CC1=NC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@H]3CCN(C3=O)C4CCN(CC4)C(C)C

InChI

InChI=1S/C22H30N4O3S/c1-15(2)25-9-6-19(7-10-25)26-11-8-21(22(26)27)24-30(28,29)20-5-4-17-12-16(3)23-14-18(17)13-20/h4-5,12-15,19,21,24H,6-11H2,1-3H3/t21-/m0/s1