ethyl N-[(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbamate

Systemtic Name: ethyl N-[(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbamate Openeye Name: ethyl N-[(6-carbamimidoyl-2-naphthyl)methylsulfonyl]-N-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]carbamate CAS Name: N-[(6-carbamimidoyl-2-naphthalenyl)methylsulfonyl]-N-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbamate Traditional Name: N-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-N-[(6-amidino-2-naphthyl)methylsulfonyl]carbamic acid ethyl ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=CC=C(C=C1)OC2CCN(CC2)C(=N)C)S(=O)(=O)CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)N(C1=CC=C(C=C1)OC2CCN(CC2)C(=N)C)S(=O)(=O)CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C28H33N5O5S/c1-3-37-28(34)33(24-8-10-25(11-9-24)38-26-12-14-32(15-13-26)19(2)29)39(35,36)18-20-4-5-22-17-23(27(30)31)7-6-21(22)16-20/h4-11,16-17,26,29H,3,12-15,18H2,1-2H3,(H3,30,31)