7-[(phenylmethyl)-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 7-[(phenylmethyl)-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[benzyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[benzyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[benzyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C31H38N6O3S MolecularWeight: 574.73682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC5=C(CCN(C5)C(=N)N)C=C4

Isomeric SMILES

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC5=C(CCN(C5)C(=N)N)C=C4

InChI

InChI=1S/C31H38N6O3S/c1-2-30(32)35-18-15-28(16-19-35)40-27-10-12-29(13-11-27)41(38,39)37(21-23-6-4-3-5-7-23)26-9-8-24-14-17-36(31(33)34)22-25(24)20-26/h3-13,20,28,32H,2,14-19,21-22H2,1H3,(H3,33,34)