(2R)-2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-3-methyl-butan-1-one

Systemtic Name: (2R)-2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-3-methyl-butan-1-one Openeye Name: (2R)-2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: (2R)-2-amino-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: (2R)-2-amino-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-3-methylbutan-1-one Traditional Name: (2R)-2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N

InChI

InChI=1S/C19H26N4O3S/c1-14(2)18(20)19(24)22-9-4-10-23(12-11-22)27(25,26)17-6-3-5-15-13-21-8-7-16(15)17/h3,5-8,13-14,18H,4,9-12,20H2,1-2H3/t18-/m1/s1