1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-sulfino-amino]phenyl]-1,4-diazepane

Systemtic Name: 1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-sulfino-amino]phenyl]-1,4-diazepane Openeye Name: 1-[4-[(7-carbamimidoyl-2-naphthyl)methyl-sulfino-amino]phenyl]-1,4-diazepane CAS Name: 1-[4-[(7-carbamimidoyl-2-naphthalenyl)methyl-sulfinoamino]phenyl]-1,4-diazepane IUPAC Name: 1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-sulfinoamino]phenyl]-1,4-diazepane Traditional Name: 1-[4-[(7-amidino-2-naphthyl)methyl-sulfino-amino]phenyl]-1,4-diazepane Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)O

Isomeric SMILES

C1CNCCN(C1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)O

InChI

InChI=1S/C23H27N5O2S/c24-23(25)19-5-4-18-3-2-17(14-20(18)15-19)16-28(31(29)30)22-8-6-21(7-9-22)27-12-1-10-26-11-13-27/h2-9,14-15,26H,1,10-13,16H2,(H3,24,25)(H,29,30)